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Scientific Reports|October 29, 2020
An allosteric interaction controls the activation mechanism of SHP2 tyrosine phosphataseMassimiliano Anselmi, Jochen S HubPlos Computational Biology|October 19, 2017
Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamicsRoman Shevchuk, Jochen S HubCommunications Biology|December 22, 2023
Atomistic ensemble of active SHP2 phosphataseMassimiliano Anselmi, Jochen S HubBiophysical Journal|October 14, 2022
DNA opening during transcription initiation by RNA polymerase II in atomic detailJeremy Lapierre, Jochen S HubJournal of Chemical Theory and Computation|April 6, 2017
Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid MembranesJochen S Hub, Neha AwasthiProceedings of the National Academy of Sciences of the United States of America|April 23, 2021
The loops of the N-SH2 binding cleft do not serve as allosteric switch in SHP2 activationMassimiliano Anselmi, Jochen S HubScientific Reports|September 22, 2017
Energetics and mechanism of anion permeation across formate-nitrite transportersKalina Atkovska, Jochen S HubPhysical Review Letters|April 19, 2024
Molecular Simulations Reveal the Free Energy Landscape and Transition State of Membrane ElectroporationGari Kasparyan, Jochen S HubPhysical Review Letters|October 13, 2023
Molecular Simulations of Liquid Jet Explosions and Shock Waves Induced by X-Ray Free-Electron LasersLeonie Chatzimagas, Jochen S HubMethods in Enzymology|November 21, 2022
Predicting solution scattering patterns with explicit-solvent molecular simulationsLeonie Chatzimagas, Jochen S HubPageof 10